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1 PublicationData publication: Impact of electronic correlations on high-pressure iron: insights from time-dependent density functional theory
Ramakrishna, K.; Lokamani, M.; Baczewski, A.; Vorberger, J.; Cangi, A.
Abstract
Simulation and literature data on the electrical and thermal conductivity of high-pressure iron. The raw simulation data was generated from time-dependent density functional theory calculations. Post-processing was applied to obtain the transport properties (conductivities) as described in the associated journal publication. The literature data was compiled from available publication data as referenced in the associated journal publication.
Keywords: Time-dpenedent density functional theory; Electronic structure; Electrical conductivity
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ROBIS: 37621 has used this (Id 37622) publication of HZDR-primary research data
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Reseach data in the HZDR data repository RODARE
Publication date: 2023-10-06 Open access
DOI: 10.14278/rodare.2498
Versions: 10.14278/rodare.2499
License: CC-BY-4.0
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Permalink: https://www.hzdr.de/publications/Publ-37622